methyl 2-ethyl-4-methyl-5-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]-1H-pyrrole-3-carboxylate

C20H23N3O4 — CID 26958553

IUPACmethyl 2-ethyl-4-methyl-5-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]-1H-pyrrole-3-carboxylate
SMILESCCc1[nH]c(C(=O)Nc2ccc(N3CCCC3=O)cc2)c(C)c1C(=O)OC
InChIInChI=1S/C20H23N3O4/c1-4-15-17(20(26)27-3)12(2)18(22-15)19(25)21-13-7-9-14(10-8-13)23-11-5-6-16(23)24/h7-10,22H,4-6,11H2,1-3H3,(H,21,25)
InChIKeyXZEBPNGXSCPGIL-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.05
Rot. Bonds5

About methyl 2-ethyl-4-methyl-5-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]-1H-pyrrole-3-carboxylate

methyl 2-ethyl-4-methyl-5-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]-1H-pyrrole-3-carboxylate (PubChem CID 26958553) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is methyl 2-ethyl-4-methyl-5-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-ethyl-4-methyl-5-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]-1H-pyrrole-3-carboxylate
PubChem CID26958553
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Namemethyl 2-ethyl-4-methyl-5-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]-1H-pyrrole-3-carboxylate
SMILESCCc1[nH]c(C(=O)Nc2ccc(N3CCCC3=O)cc2)c(C)c1C(=O)OC
InChIInChI=1S/C20H23N3O4/c1-4-15-17(20(26)27-3)12(2)18(22-15)19(25)21-13-7-9-14(10-8-13)23-11-5-6-16(23)24/h7-10,22H,4-6,11H2,1-3H3,(H,21,25)
InChIKeyXZEBPNGXSCPGIL-UHFFFAOYSA-N
XLogP3.05
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 2-ethyl-4-methyl-5-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]-1H-pyrrole-3-carboxylate with MolForge

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Related Compounds

methyl 4-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoate
CID 8747295
N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7686436
N-(4-methoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9412020
2-methyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-1H-indole-3-carboxamide
CID 38715449
3,5-dimethoxy-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686372
4-acetamido-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 78788340
methyl 2-ethyl-4-methyl-5-[(2-methyl-1,3-benzoxazol-5-yl)carbamoyl]-1H-pyrrole-3-carboxylate
CID 17456589
methyl 5-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]carbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate
CID 55891890
2-methoxy-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686423
3-oxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
CID 18072161
3-methyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-1,2-oxazole-5-carboxamide
CID 17429991
methyl 4-[[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]benzoate
CID 26685968

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-4-methyl-5-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]-1H-pyrrole-3-carboxylate?
The IUPAC name of methyl 2-ethyl-4-methyl-5-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]-1H-pyrrole-3-carboxylate (CID 26958553) is methyl 2-ethyl-4-methyl-5-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]-1H-pyrrole-3-carboxylate.
What is the SMILES notation for methyl 2-ethyl-4-methyl-5-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]-1H-pyrrole-3-carboxylate?
The canonical SMILES for methyl 2-ethyl-4-methyl-5-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]-1H-pyrrole-3-carboxylate is CCc1[nH]c(C(=O)Nc2ccc(N3CCCC3=O)cc2)c(C)c1C(=O)OC.
What is the InChIKey of methyl 2-ethyl-4-methyl-5-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]-1H-pyrrole-3-carboxylate?
The InChIKey is XZEBPNGXSCPGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-4-15-17(20(26)27-3)12(2)18(22-15)19(25)21-13-7-9-14(10-8-13)23-11-5-6-16(23)24/h7-10,22H,4-6,11H2,1-3H3,(H,21,25).
What are the key properties of methyl 2-ethyl-4-methyl-5-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]-1H-pyrrole-3-carboxylate?
methyl 2-ethyl-4-methyl-5-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]-1H-pyrrole-3-carboxylate has a molecular weight of 369.42 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-4-methyl-5-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 26958553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).